ids stringlengths 4 10 | material_id stringlengths 4 10 | pretty_formula stringlengths 1 17 | cif stringlengths 689 1.73k | cif.conv stringlengths 696 5.07k | pos listlengths 1 20 | cell listlengths 3 3 | atomic_numbers listlengths 1 20 | pbc listlengths 3 3 | formation_energy_per_atom float64 -5.15 0.08 | band_gap float64 0 11.8 | e_above_hull float64 0 0.08 | spacegroup.number int64 1 229 | spacegroup.number.conv int64 1 229 | elements listlengths 1 7 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-1206397 | mp-1206397 | CrCoAs | # generated using pymatgen
data_CrCoAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07577295
_cell_length_b 6.07577295
_cell_length_c 3.64664400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001038
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CrCoAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.07577295
_cell_length_b 6.07577295
_cell_length_c 3.64664400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.646644000000001,
2.17533805007411,
1.2559325342494478
],
[
1.8833974258816234e-32,
6.660143271262861e-18,
3.5639086696921503
],
[
3.6466440000000016,
3.086435121892883,
-1.7819537756914812
],
[
1.8233220000000017,
3.9595053589978506,
2.2860224413079258... | [
[
3.646644,
0,
2.2329254511149505e-16
],
[
2.01450600670464e-15,
5.261773171966993,
-3.037885521749884
],
[
0,
0,
6.07577295
]
] | [
24,
24,
24,
27,
27,
27,
33,
33,
33
] | [
1,
1,
1
] | -0.169325 | 0 | 0.030885 | 189 | 189 | [
"As",
"Co",
"Cr"
] |
mp-865127 | mp-865127 | NaTl2Cd | # generated using pymatgen
data_NaTl2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.38160162
_cell_length_b 5.38160162
_cell_length_c 5.38160162
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NaTl2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.61073400
_cell_length_b 7.61073400
_cell_length_c 7.61073400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.553534571989163,
1.0985148306612775,
2.6908008100000003
],
[
4.660603715967489,
3.295544491983833,
8.072402429999999
],
[
3.107069143978326,
2.197029661322555,
5.38160162
]
] | [
[
4.660603715967489,
0,
2.6908008099999994
],
[
1.553534571989163,
4.39405932264511,
2.69080081
],
[
0,
0,
5.38160162
]
] | [
11,
81,
81,
48
] | [
1,
1,
1
] | -0.082038 | 0 | 0 | 225 | 225 | [
"Na",
"Tl",
"Cd"
] |
mp-10848 | mp-10848 | AsPdS | # generated using pymatgen
data_AsPdS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03348600
_cell_length_b 6.03348600
_cell_length_c 6.03348600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | # generated using pymatgen
data_AsPdS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.03348600
_cell_length_b 6.03348600
_cell_length_c 6.03348600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural A... | [
[
3.6963488295539997,
3.696348829554,
3.6963488295540006
],
[
5.353880170446,
2.3371371704460002,
0.6796058295540005
],
[
0.6796058295539997,
5.353880170446,
2.3371371704460002
],
[
2.3371371704460002,
0.6796058295540001,
5.353880170446
],
[
0.0023... | [
[
6.033486,
0,
3.6944446588001835e-16
],
[
-3.6944446588001835e-16,
6.033486,
3.6944446588001835e-16
],
[
0,
0,
6.033486
]
] | [
33,
33,
33,
33,
46,
46,
46,
46,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.524221 | 0 | 0 | 198 | 198 | [
"As",
"Pd",
"S"
] |
mp-867737 | mp-867737 | LaMgI5 | # generated using pymatgen
data_LaMgI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.19752521
_cell_length_b 8.19752521
_cell_length_c 12.09335191
_cell_angle_alpha 68.56101049
_cell_angle_beta 68.56101049
_cell_angle_gamma 84.50502619
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LaMgI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.13543000
_cell_length_b 11.02402000
_cell_length_c 12.09335191
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.59110879
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.0184425735712974,
3.884626786943434,
3.4331971492223974
],
[
6.912991776088687,
3.875501725339525,
-3.7522774557708427
],
[
2.5572129425073302,
0.8233584079661923,
7.818642128756245
],
[
3.550620992642245,
6.875460622192652,
-0.943057245137286
],
[... | [
[
7.803860304648578,
0,
-2.5098175061377987
],
[
-1.663303060973473,
7.591565394268616,
-2.6078683556661786
],
[
0,
0,
11.873434620660465
]
] | [
57,
57,
12,
12,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.534417 | 2.6792 | 0.074923 | 9 | 9 | [
"I",
"La",
"Mg"
] |
mp-861985 | mp-861985 | Er2IrRh | # generated using pymatgen
data_Er2IrRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.80759214
_cell_length_b 4.80759214
_cell_length_c 4.80759214
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Er2IrRh
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79896201
_cell_length_b 6.79896201
_cell_length_c 6.79896201
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.163496924274394,
2.944036908603757,
7.21138821
],
[
1.3878323080914645,
0.9813456362012524,
2.403796069999999
],
[
2.7756646161829295,
1.9626912724025043,
4.80759214
],
[
0,
0,
0
]
] | [
[
4.163496924274393,
0,
2.4037960700000003
],
[
1.3878323080914645,
3.9253825448050095,
2.4037960700000003
],
[
0,
0,
4.80759214
]
] | [
68,
68,
77,
45
] | [
1,
1,
1
] | -0.942778 | 0 | 0 | 225 | 225 | [
"Er",
"Ir",
"Rh"
] |
mp-570988 | mp-570988 | La2PBr2 | # generated using pymatgen
data_La2PBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26650859
_cell_length_b 4.26650859
_cell_length_c 10.21738900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000922
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La2PBr2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26650859
_cell_length_b 4.26650859
_cell_length_c 10.21738900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
2.133253997709139,
1.2316349986818231,
1.641157890736001
],
[
2.1218182783302906e-16,
2.4632699973636463,
8.576231109264
],
[
0,
0,
0
],
[
2.1218182783302906e-16,
2.4632699973636463,
3.5159568157350005
],
[
2.133253997709139,
1.23163499868182... | [
[
4.266507995418278,
0,
1.2086033502584182e-15
],
[
-2.1332539977091387,
3.694904996045469,
2.6124830441390935e-16
],
[
0,
0,
10.217389
]
] | [
57,
57,
15,
35,
35
] | [
1,
1,
1
] | -2.061749 | 0 | 0 | 164 | 164 | [
"Br",
"La",
"P"
] |
mp-861588 | mp-861588 | Pr2CuRu | # generated using pymatgen
data_Pr2CuRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.06698153
_cell_length_b 5.06698153
_cell_length_c 5.06698153
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pr2CuRu
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.16579400
_cell_length_b 7.16579400
_cell_length_c 7.16579400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.4627115751621804,
1.034293273717234,
2.533490765
],
[
4.388134725486541,
3.102879821151703,
7.600472294999998
],
[
0,
0,
0
],
[
2.9254231503243604,
2.0685865474344687,
5.066981529999998
]
] | [
[
4.388134725486543,
0,
2.5334907649999994
],
[
1.4627115751621795,
4.137173094868937,
2.533490765
],
[
0,
0,
5.066981529999999
]
] | [
59,
59,
29,
44
] | [
1,
1,
1
] | -0.135083 | 0 | 0.041333 | 225 | 225 | [
"Pr",
"Cu",
"Ru"
] |
mp-676049 | mp-676049 | KBF4 | # generated using pymatgen
data_KBF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09193400
_cell_length_b 5.13465105
_cell_length_c 5.29811546
_cell_angle_alpha 96.95942348
_cell_angle_beta 115.98800523
_cell_angle_gamma 114.14693203
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_KBF4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.09193400
_cell_length_b 5.13465105
_cell_length_c 5.29811546
_cell_angle_alpha 96.95942348
_cell_angle_beta 115.98800523
_cell_angle_gamma 114.14693203
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.0634971500109565,
2.376881303714473,
-0.34722047187753835
],
[
-0.02102934423776427,
3.5794389690854125,
-0.7620043176448599
],
[
0.07924345503187204,
2.1670705692075463,
-0.6836060153710375
],
[
0.9480285343860665,
4.165844363969153,
0.110224761453338... | [
[
4.577067161161151,
0,
-2.2311987949477303
],
[
-2.64003203026885,
4.359794167295459,
-0.622147171686198
],
[
0,
0,
5.29811546
]
] | [
19,
5,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.231919 | 7.4561 | 0.073872 | 1 | 1 | [
"B",
"F",
"K"
] |
mp-1206826 | mp-1206826 | La4SiI5 | # generated using pymatgen
data_La4SiI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.25712596
_cell_length_b 10.25712596
_cell_length_c 9.23978588
_cell_angle_alpha 77.77987887
_cell_angle_beta 77.77987887
_cell_angle_gamma 25.00041902
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La4SiI5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 20.02796600
_cell_length_b 4.44017000
_cell_length_c 9.23978588
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.52158542
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.6056626469232494,
0.690932919366129,
2.7319203767495894
],
[
3.295663407753522,
8.32907908280266,
4.60839375512084
],
[
2.068966637164746,
1.9187098930653383,
9.332343910589069
],
[
1.8323594175120255,
7.101302109103452,
-1.99202977871864
],
[
... | [
[
4.334916728620192,
0,
-0.9610445320415107
],
[
-0.4335906739434212,
9.02001200216879,
-1.9557672960880597
],
[
0,
0,
10.25712596
]
] | [
57,
57,
57,
57,
14,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -1.51579 | 0 | 0 | 12 | 12 | [
"I",
"La",
"Si"
] |
mp-22602 | mp-22602 | CaIn2Au | # generated using pymatgen
data_CaIn2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.94514097
_cell_length_b 5.94514097
_cell_length_c 7.73819900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 134.31837731
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CaIn2Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61547600
_cell_length_b 10.95792799
_cell_length_c 7.73819900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-4.660770855329172e-16,
0.8184476418988819,
1.9345497500000002
],
[
2.30773799872693,
4.660516355282006,
5.803649250000001
],
[
-1.4386711416948262e-15,
4.000366941189675,
0.3913052470320003
],
[
-1.4386711416948262e-15,
4.000366941189675,
3.477794252968... | [
[
4.615475997453862,
0,
1.307457939736773e-15
],
[
-2.307737998726932,
5.478963997180887,
3.640348929695145e-16
],
[
0,
0,
7.738199
]
] | [
20,
20,
49,
49,
49,
49,
79,
79
] | [
1,
1,
1
] | -0.521354 | 0 | 0 | 63 | 63 | [
"Au",
"Ca",
"In"
] |
mp-861733 | mp-861733 | LiTePd2 | # generated using pymatgen
data_LiTePd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.56508845
_cell_length_b 4.56508845
_cell_length_c 4.56508845
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiTePd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45601000
_cell_length_b 6.45601000
_cell_length_c 6.45601000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.635655045481951,
1.8636895555288262,
4.56508845
],
[
0,
0,
0
],
[
3.953482568222927,
2.79553433329324,
6.847632675
],
[
1.3178275227409757,
0.9318447777644133,
2.282544225000001
]
] | [
[
3.9534825682229275,
0,
2.2825442249999996
],
[
1.317827522740975,
3.7273791110576533,
2.2825442249999996
],
[
0,
0,
4.56508845
]
] | [
3,
52,
46,
46
] | [
1,
1,
1
] | -0.52218 | 0 | 0.076802 | 225 | 225 | [
"Li",
"Te",
"Pd"
] |
mp-1189555 | mp-1189555 | Ce5CuBi3 | # generated using pymatgen
data_Ce5CuBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49483200
_cell_length_b 9.61615344
_cell_length_c 9.61604711
_cell_angle_alpha 120.00036652
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Ce5CuBi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.61604706
_cell_length_b 9.61604706
_cell_length_c 6.49483200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
3.2474224948319996,
5.553908241734019,
-0.00003358497582118254
],
[
3.247422494832,
2.7738020825092833,
4.808043099202957
],
[
0.000006494831999830153,
2.7738020825092837,
4.808110412277037
],
[
0.000006494831999659921,
5.553908241734019,
0.0000337280982... | [
[
6.494832,
0,
3.976937609899901e-16
],
[
-5.099251896405463e-16,
8.327710324243302,
-4.808076612698786
],
[
0,
0,
9.616153440000001
]
] | [
58,
58,
58,
58,
58,
58,
58,
58,
58,
58,
29,
29,
83,
83,
83,
83,
83,
83
] | [
1,
1,
1
] | -0.572914 | 0 | 0.002585 | 193 | 193 | [
"Bi",
"Ce",
"Cu"
] |
mp-541129 | mp-541129 | NdVO3 | # generated using pymatgen
data_NdVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49157200
_cell_length_b 5.74559400
_cell_length_c 7.84384400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | # generated using pymatgen
data_NdVO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.49157200
_cell_length_b 5.74559400
_cell_length_c 7.84384400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural N... | [
[
5.402970977352,
0.344511561834,
1.9609610000000004
],
[
2.6571849773519998,
2.528285438166,
5.8828830000000005
],
[
2.834387022648,
3.217308561834,
1.9609610000000004
],
[
0.08860102264799966,
5.401082438165999,
5.8828830000000005
],
[
2.745786,
... | [
[
5.491572,
0,
3.362618036043614e-16
],
[
-3.5181616506501187e-16,
5.745594,
3.5181616506501187e-16
],
[
0,
0,
7.843844
]
] | [
60,
60,
60,
60,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.221049 | 1.5604 | 0 | 62 | 62 | [
"Nd",
"O",
"V"
] |
mp-998603 | mp-998603 | RbPbBr3 | # generated using pymatgen
data_RbPbBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.86518432
_cell_length_b 7.86518432
_cell_length_c 11.34292300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 146.63254192
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_RbPbBr3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.51600800
_cell_length_b 15.06818401
_cell_length_c 11.34292300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-2.860539343016367e-17,
3.8324569886178774,
2.8357307500000006
],
[
2.258004000794033,
3.7016350150659116,
8.507192250000001
],
[
0,
0,
5.6714615
],
[
0,
0,
0
],
[
-5.075284941368854e-16,
5.526919484798382,
6.298055909443001
],
[
... | [
[
4.516008001588065,
0,
1.279280949754335e-15
],
[
-2.2580040007940325,
7.534092003683789,
4.816036401095976e-16
],
[
0,
0,
11.342923
]
] | [
37,
37,
82,
82,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -1.612425 | 2.823 | 0 | 63 | 63 | [
"Br",
"Pb",
"Rb"
] |
mp-29982 | mp-29982 | Nb7(B2C)3 | # generated using pymatgen
data_Nb7(B2C)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.76258740
_cell_length_b 16.76258740
_cell_length_c 3.26336600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 169.22112723
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_Nb7(B2C)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.14884400
_cell_length_b 33.37697001
_cell_length_c 3.26336600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.2242410472159153,
6.271488846409889e-32,
6.813819279197591
],
[
0.9106828534469651,
3.263366,
9.653013703488893
],
[
1.7779783601087538,
1.631683,
2.0835448288814047
],
[
1.3569455405541266,
1.631683,
14.383288153805081
],
[
0.40939284711146773... | [
[
3.134923900662879,
0,
-0.29575441731351665
],
[
1.2494020920742442e-15,
3.263366,
1.9982353631731507e-16
],
[
0,
0,
16.7625874
]
] | [
41,
41,
41,
41,
41,
41,
41,
5,
5,
5,
5,
5,
5,
6,
6,
6
] | [
1,
1,
1
] | -0.649636 | 0 | 0.011227 | 65 | 65 | [
"B",
"C",
"Nb"
] |
mp-755902 | mp-755902 | Lu(HO)3 | # generated using pymatgen
data_Lu(HO)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22562577
_cell_length_b 6.22562577
_cell_length_c 3.46340800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999751
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Lu(HO)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.22562577
_cell_length_b 6.22562577
_cell_length_c 3.46340800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.5975560000000013,
3.594366804369232,
-1.562065003929182e-7
],
[
0.8658520000000003,
1.797183402184616,
3.11281280689675
],
[
0.8658520000000014,
4.646103691895299,
1.818162676086034
],
[
0.8658520000000017,
4.643073640679216,
-1.8199124806229539
],
... | [
[
3.463408,
0,
2.120725760670668e-16
],
[
2.0641920359505188e-15,
5.391550206553847,
-3.1128131193097506
],
[
0,
0,
6.22562577
]
] | [
71,
71,
1,
1,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.248266 | 3.6187 | 0.053092 | 176 | 176 | [
"H",
"Lu",
"O"
] |
mp-13313 | mp-13313 | ScTlSe2 | # generated using pymatgen
data_ScTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.07938354
_cell_length_b 8.07938354
_cell_length_c 8.07938350
_cell_angle_alpha 28.54123732
_cell_angle_beta 28.54123732
_cell_angle_gamma 28.54124099
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_ScTlSe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98316975
_cell_length_b 3.98316975
_cell_length_c 23.23555512
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
2.832758998058216,
1.7060647103802093,
5.021551228645687
],
[
4.14343692783378,
2.4954369669671865,
7.947900912260845
],
[
1.5220810682826524,
0.9166924537932317,
2.0952015450305286
]
] | [
[
3.8602579127205248,
0,
0.9818594786456869
],
[
1.8052600833959076,
3.412129420760418,
0.9818594786456869
],
[
0,
0,
8.0793835
]
] | [
21,
81,
34,
34
] | [
1,
1,
1
] | -1.488762 | 0.7617 | 0 | 166 | 166 | [
"Sc",
"Tl",
"Se"
] |
mp-1226074 | mp-1226074 | CoNi(SbS)2 | # generated using pymatgen
data_CoNi(SbS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.88471000
_cell_length_b 5.87592700
_cell_length_c 5.88231825
_cell_angle_alpha 89.84597582
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_CoNi(SbS)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.87592700
_cell_length_b 5.88471000
_cell_length_c 5.88231825
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.15402418
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
2.8363093981962035,
4.530939259836072,
3.06276793602
],
[
3.0554306016690425,
1.3513577356681779,
0.12041293602000028
],
[
0.13256850448443205,
1.5962671710759972,
2.81834062146
],
[
5.759171495380814,
4.286029824428252,
5.760695621460001
],
[
0.... | [
[
5.875927,
0,
3.5979675962867547e-16
],
[
0.015812999865245914,
5.88229699550425,
3.6018811082142803e-16
],
[
0,
0,
5.88471
]
] | [
27,
27,
28,
28,
51,
51,
51,
51,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.549889 | 0 | 0.022694 | 4 | 4 | [
"Co",
"Ni",
"S",
"Sb"
] |
mp-1226783 | mp-1226783 | Cd4Te3Se | # generated using pymatgen
data_Cd4Te3Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61523700
_cell_length_b 6.48116600
_cell_length_c 9.26338600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cd4Te3Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61523700
_cell_length_b 6.48116600
_cell_length_c 9.26338600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-8.134377105679225e-18,
0.132844459502,
8.134377105679225e-18
],
[
2.3076185,
3.18542827734,
7.0592096182300015
],
[
-3.948770404595302e-16,
6.448831462826,
4.631693
],
[
2.3076185,
3.18542827734,
2.2041763817700004
],
[
-2.977363781166199e-16,
... | [
[
4.615237,
0,
2.826017609678216e-16
],
[
-3.9685695983213273e-16,
6.481166,
3.9685695983213273e-16
],
[
0,
0,
9.263386
]
] | [
48,
48,
48,
48,
52,
52,
52,
34
] | [
1,
1,
1
] | -0.707064 | 0.4652 | 0.008811 | 25 | 25 | [
"Cd",
"Se",
"Te"
] |
mp-569440 | mp-569440 | TmInAg2 | # generated using pymatgen
data_TmInAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.92972220
_cell_length_b 4.92972220
_cell_length_c 4.92972220
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmInAg2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.97167999
_cell_length_b 6.97167999
_cell_length_c 6.97167999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.8461764392000735,
2.0125506606117534,
4.929722199999999
],
[
0,
0,
0
],
[
4.26926465880011,
3.0188259909176303,
7.394583299999999
],
[
1.423088219600037,
1.0062753303058776,
2.4648611000000007
]
] | [
[
4.269264658800111,
0,
2.4648610999999994
],
[
1.4230882196000358,
4.025101321223507,
2.4648611
],
[
0,
0,
4.929722199999999
]
] | [
69,
49,
47,
47
] | [
1,
1,
1
] | -0.350567 | 0 | 0 | 225 | 225 | [
"Ag",
"In",
"Tm"
] |
mp-610706 | mp-610706 | Cs2CoF6 | # generated using pymatgen
data_Cs2CoF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.39991317
_cell_length_b 6.39991317
_cell_length_c 6.39991317
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cs2CoF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.05084400
_cell_length_b 9.05084400
_cell_length_c 9.05084400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8474957957448659,
1.3063768053848326,
3.199956585000001
],
[
5.542487387234596,
3.919130416154492,
9.599869755
],
[
0,
0,
0
],
[
4.800599585512104,
1.0491877909551097,
4.484943951098941
],
[
1.4837756034449814,
1.049187790955109,
6.3999... | [
[
5.542487387234596,
0,
3.1999565850000007
],
[
1.8474957957448652,
5.225507221539323,
3.1999565850000002
],
[
0,
0,
6.39991317
]
] | [
55,
55,
27,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.480116 | 1.2864 | 0 | 225 | 225 | [
"Cs",
"Co",
"F"
] |
mp-22735 | mp-22735 | Ca2Sn | # generated using pymatgen
data_Ca2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08442600
_cell_length_b 7.91636900
_cell_length_c 9.61667800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_Ca2Sn
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.08442600
_cell_length_b 7.91636900
_cell_length_c 9.61667800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | [
[
3.813319499999999,
6.664680231934001,
4.132613503652001
],
[
1.2711065,
1.251688768066,
5.484064496348001
],
[
3.8133194999999995,
2.7064957319340004,
0.6757254963480004
],
[
1.2711064999999997,
5.2098732680660005,
8.940952503652
],
[
3.813319499... | [
[
5.084426,
0,
3.11331301320079e-16
],
[
-4.847377978359667e-16,
7.916369,
4.847377978359667e-16
],
[
0,
0,
9.616678
]
] | [
20,
20,
20,
20,
20,
20,
20,
20,
50,
50,
50,
50
] | [
1,
1,
1
] | -0.647289 | 0.0596 | 0 | 62 | 62 | [
"Ca",
"Sn"
] |
mp-19794 | mp-19794 | EuSnP | # generated using pymatgen
data_EuSnP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26987300
_cell_length_b 4.26987300
_cell_length_c 8.73492400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | # generated using pymatgen
data_EuSnP
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26987300
_cell_length_b 4.26987300
_cell_length_c 8.73492400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural E... | [
[
-1.3072715755539265e-16,
2.1349365,
1.471948248012
],
[
2.1349365,
0,
7.262975751988
],
[
2.1349365,
0,
3.934087480664
],
[
-1.3072715755539265e-16,
2.1349365,
4.800836519336
],
[
-1.3072715755539265e-16,
2.1349365,
7.305427482628
],
... | [
[
4.269873,
0,
2.614543151107853e-16
],
[
-2.614543151107853e-16,
4.269873,
2.614543151107853e-16
],
[
0,
0,
8.734924
]
] | [
63,
63,
50,
50,
15,
15
] | [
1,
1,
1
] | -0.806808 | 0 | 0 | 129 | 129 | [
"Eu",
"P",
"Sn"
] |
mp-1101993 | mp-1101993 | Pr2P2AuO | # generated using pymatgen
data_Pr2P2AuO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.27185800
_cell_length_b 7.96373088
_cell_length_c 7.97880388
_cell_angle_alpha 78.07269384
_cell_angle_beta 74.47252696
_cell_angle_gamma 74.44239456
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pr2P2AuO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.34390000
_cell_length_b 4.27185800
_cell_length_c 10.04082670
_cell_angle_alpha 90.00000000
_cell_angle_beta 130.75499757
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.7557831219221172,
5.223201670214314,
1.6594225928299806
],
[
4.119710542979645,
2.3673262605047225,
9.108827647899941
],
[
1.1833066650009796,
2.0491313296489806,
3.7198689909580067
],
[
4.692186999900782,
5.541396601070057,
7.048381249771915
],
[
... | [
[
4.115944593777945,
0,
1.1435781010119561
],
[
1.7595490711238166,
7.590527930719037,
1.6458682597179648
],
[
0,
0,
7.97880388
]
] | [
59,
59,
59,
59,
15,
15,
15,
15,
79,
79,
8,
8
] | [
1,
1,
1
] | -1.767659 | 0 | 0 | 12 | 12 | [
"Au",
"O",
"P",
"Pr"
] |
mp-9220 | mp-9220 | SmNi2B2C | # generated using pymatgen
data_SmNi2B2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69459577
_cell_length_b 5.69459577
_cell_length_c 5.69459577
_cell_angle_alpha 142.79605793
_cell_angle_beta 142.79605793
_cell_angle_gamma 53.63147486
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_SmNi2B2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.63306000
_cell_length_b 3.63306000
_cell_length_c 10.16442000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
0
],
[
2.4849289848824987,
0.855273632930125,
1.6883811235771413
],
[
0.5682676862447701,
2.5658208987903754,
1.688381123924352
],
[
1.0772532750804917,
1.2070579414378806,
3.200629106599017
],
[
1.9759433960467767,
2.2140365902826193,
... | [
[
3.4432596342013624,
0,
-1.158916761596464
],
[
-0.390062963074094,
3.4210945317205006,
-1.1589167609020428
],
[
0,
0,
5.69459577
]
] | [
62,
28,
28,
5,
5,
6
] | [
1,
1,
1
] | -0.480983 | 0 | 0 | 139 | 139 | [
"B",
"C",
"Ni",
"Sm"
] |
mp-972236 | mp-972236 | V2MoW | # generated using pymatgen
data_V2MoW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.35509329
_cell_length_b 4.35509329
_cell_length_c 4.35509329
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | # generated using pymatgen
data_V2MoW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.15903200
_cell_length_b 6.15903200
_cell_length_c 6.15903200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural V... | [
[
3.7716214249911495,
2.6669390856797106,
6.532639934999999
],
[
1.2572071416637163,
0.8889796952265698,
2.1775466449999996
],
[
2.5144142833274334,
1.77795939045314,
4.355093289999998
],
[
0,
0,
0
]
] | [
[
3.77162142499115,
0,
2.1775466449999996
],
[
1.2572071416637156,
3.555918780906281,
2.177546645
],
[
0,
0,
4.355093289999999
]
] | [
23,
23,
42,
74
] | [
1,
1,
1
] | -0.098999 | 0 | 0 | 225 | 225 | [
"Mo",
"V",
"W"
] |
mp-1105741 | mp-1105741 | Pr3Ru | # generated using pymatgen
data_Pr3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55262400
_cell_length_b 7.47202000
_cell_length_c 9.83977600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | # generated using pymatgen
data_Pr3Ru
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.55262400
_cell_length_b 7.47202000
_cell_length_c 9.83977600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural P... | [
[
2.1382129479359993,
5.0416334147,
0.6745461641280005
],
[
1.138099052064,
1.3056234146999999,
4.245341835872001
],
[
4.414411052064,
2.4303865853,
5.594434164128001
],
[
5.414524947936,
6.1663965853,
9.165229835872001
],
[
4.414411052064,
2.4... | [
[
6.552624,
0,
4.012325003808063e-16
],
[
-4.575292688082503e-16,
7.47202,
4.575292688082503e-16
],
[
0,
0,
9.839776
]
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
44,
44,
44,
44
] | [
1,
1,
1
] | -0.167842 | 0 | 0 | 62 | 62 | [
"Pr",
"Ru"
] |
mp-1786 | mp-1786 | Ti3Au | # generated using pymatgen
data_Ti3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11327600
_cell_length_b 5.11327600
_cell_length_c 5.11327600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_Ti3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11327600
_cell_length_b 5.11327600
_cell_length_c 5.11327600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
2.556638,
1.278319,
2.3482339074588684e-16
],
[
2.5566379999999995,
3.834957,
3.9137231790981133e-16
],
[
1.278319,
0,
2.556638
],
[
3.834957,
0,
2.5566380000000004
],
[
-1.5654892716392454e-16,
2.556638,
1.2783190000000002
],
[
-... | [
[
5.113276,
0,
3.130978543278491e-16
],
[
-3.130978543278491e-16,
5.113276,
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],
[
0,
0,
5.113276
]
] | [
22,
22,
22,
22,
22,
22,
79,
79
] | [
1,
1,
1
] | -0.353336 | 0 | 0 | 223 | 223 | [
"Ti",
"Au"
] |
mp-1228848 | mp-1228848 | CsBS2 | # generated using pymatgen
data_CsBS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78414500
_cell_length_b 6.27459100
_cell_length_c 9.82300376
_cell_angle_alpha 71.37441785
_cell_angle_beta 75.90576843
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CsBS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.78414500
_cell_length_b 6.27459100
_cell_length_c 17.99186199
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.5859528685640474,
0.8391479214583192,
2.333760231442968
],
[
3.5510186038504323,
5.085489860041706,
4.32022668315793
],
[
2.3462378638936756,
3.3600931467621433,
-0.47825988418758664
],
[
1.790733608520804,
2.564544634737882,
7.132246798788484
],
[... | [
[
4.640125677836857,
0,
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],
[
-0.5031542054223772,
5.924637781500025,
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],
[
0,
0,
9.823004079710174
]
] | [
55,
55,
5,
5,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.096877 | 2.8051 | 0 | 71 | 71 | [
"B",
"Cs",
"S"
] |
mp-1079863 | mp-1079863 | TiCo3 | # generated using pymatgen
data_TiCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.13504000
_cell_length_b 5.13106004
_cell_length_c 5.13066508
_cell_angle_alpha 119.99359868
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TiCo3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13086256
_cell_length_b 5.13086256
_cell_length_c 4.13504000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0337599999999998,
2.9616413240894803,
0.000436841192590548
],
[
3.10128,
1.4819315552645786,
2.5657870970261505
],
[
1.0337599999999998,
2.998469656113566,
2.566326655529548
],
[
1.03376,
0.7221694643526216,
3.88042562023851
],
[
1.03376,
0... | [
[
4.13504,
0,
2.5319817501731356e-16
],
[
-2.7209036517394677e-16,
4.4435728793540585,
-2.5648361017812595
],
[
0,
0,
5.13106004
]
] | [
22,
22,
27,
27,
27,
27,
27,
27
] | [
1,
1,
1
] | -0.225042 | 0 | 0.036661 | 194 | 194 | [
"Co",
"Ti"
] |
mp-1188862 | mp-1188862 | La(HoS2)3 | # generated using pymatgen
data_La(HoS2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01349900
_cell_length_b 11.13956900
_cell_length_c 11.35045672
_cell_angle_alpha 71.02343141
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_La(HoS2)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.13956900
_cell_length_b 4.01349900
_cell_length_c 11.35045672
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.97656859
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.0033747499999999,
4.734363792395707,
7.510756680909568
],
[
3.01012425,
5.799787893953018,
0.21731881194753475
],
[
1.0033747499999996,
8.648886161497954,
-2.9731524381570558
],
[
3.0101242500000005,
1.885265524850771,
10.701227931014158
],
[
1... | [
[
4.013499,
0,
2.4575593518655517e-16
],
[
-6.45030757220983e-16,
10.534151686348725,
-3.622381227142899
],
[
0,
0,
11.35045672
]
] | [
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57,
67,
67,
67,
67,
67,
67,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -2.422083 | 1.0735 | 0 | 11 | 11 | [
"Ho",
"La",
"S"
] |
mp-753616 | mp-753616 | Li4VCr3O8 | # generated using pymatgen
data_Li4VCr3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11719089
_cell_length_b 5.18136515
_cell_length_c 5.94303518
_cell_angle_alpha 73.32030700
_cell_angle_beta 89.99526692
_cell_angle_gamma 80.80447722
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Li4VCr3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.11719089
_cell_length_b 5.18136515
_cell_length_c 5.94303518
_cell_angle_alpha 106.67969300
_cell_angle_beta 89.99526692
_cell_angle_gamma 99.19552278
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.839377169388748,
4.885587553898677,
1.4901502819211652
],
[
2.5470791423474677,
0.008363544975807123,
1.4828112737772545
],
[
0.034394005341973434,
0.004242945286146738,
2.968495096745008
],
[
3.35214161947277,
4.889541763577117,
5.947409483118973
],... | [
[
5.117190872540007,
0,
0.0004227200334111908
],
[
0.8278802881057016,
4.893823859454138,
1.4871607441154273
],
[
0,
0,
5.94303518
]
] | [
3,
3,
3,
3,
23,
24,
24,
24,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.424252 | 1.9164 | 0.00566 | 2 | 2 | [
"Cr",
"Li",
"O",
"V"
] |
mp-1228066 | mp-1228066 | AlTl2Cu3Se4 | # generated using pymatgen
data_AlTl2Cu3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98561800
_cell_length_b 3.98561800
_cell_length_c 14.99190000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | # generated using pymatgen
data_AlTl2Cu3Se4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.98561800
_cell_length_b 3.98561800
_cell_length_c 14.99190000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.9928089999999998,
1.992809,
2.440487163162038e-16
],
[
1.992809,
0,
10.5952554708
],
[
-1.220243581581019e-16,
1.992809,
4.3966445292
],
[
0,
0,
7.49595
],
[
0,
0,
0
],
[
1.9928089999999998,
1.992809,
7.49595
],
[
... | [
[
3.985618,
0,
2.440487163162038e-16
],
[
-2.440487163162038e-16,
3.985618,
2.440487163162038e-16
],
[
0,
0,
14.9919
]
] | [
13,
81,
81,
29,
29,
29,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.546249 | 0 | 0.069549 | 115 | 115 | [
"Al",
"Cu",
"Se",
"Tl"
] |
mp-19795 | mp-19795 | InS | # generated using pymatgen
data_InS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01044600
_cell_length_b 4.75367400
_cell_length_c 10.72534600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In... | # generated using pymatgen
data_InS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01044600
_cell_length_b 4.75367400
_cell_length_c 10.72534600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural In... | [
[
2.005223,
1.779837343362,
6.650047005726
],
[
2.005223,
2.9738366566380003,
4.075298994274
],
[
-2.5452289648481e-16,
4.156674343362,
9.437971994274001
],
[
-3.655568592968978e-17,
0.596999656638,
1.2873740057260001
],
[
2.005223,
2.566294677... | [
[
4.010446,
0,
2.455689928526653e-16
],
[
-2.9107858241449975e-16,
4.753674,
2.9107858241449975e-16
],
[
0,
0,
10.725346
]
] | [
49,
49,
49,
49,
16,
16,
16,
16
] | [
1,
1,
1
] | -0.742895 | 1.5451 | 0 | 58 | 58 | [
"In",
"S"
] |
mp-1641442 | mp-1641442 | Li2TiFe2O5 | # generated using pymatgen
data_Li2TiFe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13897768
_cell_length_b 5.13634756
_cell_length_c 7.98175451
_cell_angle_alpha 84.25300943
_cell_angle_beta 71.21931334
_cell_angle_gamma 71.87321284
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li2TiFe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.13897768
_cell_length_b 15.11357726
_cell_length_c 5.13634756
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.12678716
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
1.1543931698391627,
3.721831765769929,
4.5053556295719295
],
[
5.104363244115022,
0.0048704308683992295,
0.5583416941656425
],
[
2.9873509210612132,
1.3910099275595378,
3.9577319970874605
],
[
2.7011377840534667,
0.4946508113929771,
6.774721834234013
]... | [
[
5.110509278732922,
0,
0.5145494816853537
],
[
1.4403704977498872,
4.647357698854502,
1.654234216683874
],
[
0,
0,
7.981619482811966
]
] | [
3,
3,
3,
3,
22,
22,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.330508 | 1.6657 | 0.051275 | 9 | 9 | [
"Fe",
"Li",
"O",
"Ti"
] |
mp-579536 | mp-579536 | CsCu2ICl2 | # generated using pymatgen
data_CsCu2ICl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55818200
_cell_length_b 7.76227300
_cell_length_c 8.83039680
_cell_angle_alpha 69.79664068
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_CsCu2ICl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.76227300
_cell_length_b 5.55818200
_cell_length_c 8.83039680
_cell_angle_alpha 90.00000000
_cell_angle_beta 110.20335932
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.3895455000000005,
4.895036696586678,
1.429349117670854
],
[
4.1686365,
2.3896451930213485,
4.720321681085109
],
[
2.8020685243880004,
6.451882486624258,
5.159958131985386
],
[
5.535204475612001,
6.451882486624258,
5.159958131985386
],
[
0.02297... | [
[
5.558182,
0,
3.403404897689217e-16
],
[
-4.460581179457581e-16,
7.284681889608026,
-2.6807260012440364
],
[
0,
0,
8.8303968
]
] | [
55,
55,
29,
29,
29,
29,
53,
53,
17,
17,
17,
17
] | [
1,
1,
1
] | -1.141921 | 2.0373 | 0 | 11 | 11 | [
"Cl",
"Cs",
"Cu",
"I"
] |
mp-989574 | mp-989574 | Cs2NaSrF6 | # generated using pymatgen
data_Cs2NaSrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.67413342
_cell_length_b 6.67413342
_cell_length_c 6.67413342
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cs2NaSrF6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.43865000
_cell_length_b 9.43865000
_cell_length_c 9.43865000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
5.779969089966716,
4.087055338564102,
10.01120013
],
[
1.9266563633222382,
1.3623517795213664,
3.3370667099999993
],
[
3.8533127266444773,
2.724703559042735,
6.67413342
],
[
0,
0,
0
],
[
4.799312560973877,
1.3868577633313977,
8.3126531970... | [
[
5.779969089966716,
0,
3.337066710000001
],
[
1.9266563633222387,
5.44940711808547,
3.3370667100000007
],
[
0,
0,
6.6741334199999995
]
] | [
55,
55,
11,
38,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -3.019499 | 0 | 0.024288 | 225 | 225 | [
"Cs",
"F",
"Na",
"Sr"
] |
mp-1189377 | mp-1189377 | Pr3Tl5 | # generated using pymatgen
data_Pr3Tl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.78238335
_cell_length_b 6.78238335
_cell_length_c 10.63347400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 102.78820845
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pr3Tl5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.46387200
_cell_length_b 10.60027200
_cell_length_c 10.63347400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.3228264311992985,
4.161554425477655,
7.975105500000001
],
[
1.9582912458128896,
2.452591421528265,
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],
[
0.16956290224687573,
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5.316737
],
[
0.16956290224687573,
5.2800594013731335,
4.153012030083902e-16
],
[
... | [
[
6.78238335,
0,
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],
[
-1.501265672987812,
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],
[
0,
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10.633474
]
] | [
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81,
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81,
81,
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81,
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] | [
1,
1,
1
] | -0.38121 | 0 | 0 | 63 | 63 | [
"Pr",
"Tl"
] |
mp-865759 | mp-865759 | YbHfRh2 | # generated using pymatgen
data_YbHfRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64976732
_cell_length_b 4.64976732
_cell_length_c 4.64976732
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbHfRh2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.57576401
_cell_length_b 6.57576401
_cell_length_c 6.57576401
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.6845444138711247,
1.8982595594447371,
4.649767319999999
],
[
4.026816620806687,
2.8473893391671066,
6.974650979999998
],
[
1.3422722069355622,
0.9491297797223688,
2.3248836599999994
]
] | [
[
4.026816620806687,
0,
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],
[
1.3422722069355613,
3.796519118889475,
2.324883659999999
],
[
0,
0,
4.649767319999999
]
] | [
70,
72,
45,
45
] | [
1,
1,
1
] | -0.806195 | 0 | 0 | 225 | 225 | [
"Yb",
"Hf",
"Rh"
] |
mp-754185 | mp-754185 | Y2MgNi2 | # generated using pymatgen
data_Y2MgNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36621700
_cell_length_b 7.36621700
_cell_length_c 3.73880900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Y2MgNi2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.36621700
_cell_length_b 7.36621700
_cell_length_c 3.73880900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.8694045,
1.275276318125,
4.958384818124999
],
[
1.8694044999999997,
4.9583848181249985,
6.090940681875
],
[
1.8694044999999997,
2.407832181875,
1.2752763181250002
],
[
1.8694044999999995,
6.090940681874999,
2.4078321818750004
],
[
-2.2552535177... | [
[
3.738809,
0,
2.289360237236658e-16
],
[
-4.51050703543741e-16,
7.366217,
4.51050703543741e-16
],
[
0,
0,
7.366217
]
] | [
39,
39,
39,
39,
12,
12,
28,
28,
28,
28
] | [
1,
1,
1
] | -0.372338 | 0 | 0 | 127 | 127 | [
"Y",
"Mg",
"Ni"
] |
mp-704634 | mp-704634 | Ba2Nd2Fe4O11 | # generated using pymatgen
data_Ba2Nd2Fe4O11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.88909052
_cell_length_b 8.88909052
_cell_length_c 3.96157900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 125.89138485
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Ba2Nd2Fe4O11
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.08613600
_cell_length_b 15.83281800
_cell_length_c 3.96157900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
1.9807895000000026,
7.201317123714028,
0.7666889466402065
],
[
1.9807895000000013,
3.600658561857014,
2.605617103320103
],
[
1.9807895000000006,
1.9304138734512786,
7.9031896452155195
],
[
1.980789500000002,
5.270903250262751,
6.197135081424686
],
[
... | [
[
3.961579,
0,
2.425767520959686e-16
],
[
2.7570737330898177e-15,
7.201317123714028,
-3.6778563133597935
],
[
0,
0,
8.88909052
]
] | [
56,
56,
60,
60,
26,
26,
26,
26,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.561517 | 0 | 0 | 65 | 65 | [
"Ba",
"Fe",
"Nd",
"O"
] |
mp-1070917 | mp-1070917 | Nd2Co2SiC | # generated using pymatgen
data_Nd2Co2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.74147861
_cell_length_b 5.74147861
_cell_length_c 5.74147861
_cell_angle_alpha 140.07858329
_cell_angle_beta 116.71231337
_cell_angle_gamma 77.50019383
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Nd2Co2SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.92000200
_cell_length_b 6.02439000
_cell_length_c 8.95536800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.0573888152221464,
1.546657824440606,
2.8301161956105867
],
[
3.775044657682704,
3.451945438590654,
6.830413337279837
],
[
2.753790711515504,
3.9692658860915473,
3.9008051681963973
],
[
2.078642761389346,
1.0293373769397123,
5.759724364694026
],
[
... | [
[
3.6845155095857,
0,
1.3381932360337059
],
[
1.1479179633191503,
4.99860326303126,
2.5808576863883785
],
[
0,
0,
5.74147861046834
]
] | [
60,
60,
27,
27,
14,
6
] | [
1,
1,
1
] | -0.445244 | 0 | 0 | 71 | 71 | [
"C",
"Co",
"Nd",
"Si"
] |
mp-14824 | mp-14824 | Sr2HoCu3(PbO4)2 | # generated using pymatgen
data_Sr2HoCu3(PbO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82898200
_cell_length_b 3.82898200
_cell_length_c 15.99151500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | # generated using pymatgen
data_Sr2HoCu3(PbO4)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82898200
_cell_length_b 3.82898200
_cell_length_c 15.99151500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_str... | [
[
0,
0,
12.461915783744999
],
[
0,
0,
3.529599216255
],
[
0,
0,
0
],
[
0,
0,
7.9957575
],
[
1.9144909999999997,
1.914491,
14.33955951747
],
[
1.9144909999999997,
1.914491,
1.6519554825300002
],
[
1.9144909999999997,
... | [
[
3.828982,
0,
2.344575275146415e-16
],
[
-2.344575275146415e-16,
3.828982,
2.344575275146415e-16
],
[
0,
0,
15.991515
]
] | [
38,
38,
67,
29,
29,
29,
82,
82,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.069524 | 0 | 0.028383 | 123 | 123 | [
"Cu",
"Ho",
"O",
"Pb",
"Sr"
] |
mp-1080689 | mp-1080689 | LuTe3 | # generated using pymatgen
data_LuTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.99928586
_cell_length_b 12.99928586
_cell_length_c 4.32301700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 160.89499079
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LuTe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.31449800
_cell_length_b 25.63807400
_cell_length_c 4.32301700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.7245154870616878,
3.2422627500000005,
4.305293843065695
],
[
3.5301574301996808,
1.0807542500000002,
7.977995261938658
],
[
3.933500422756059,
3.2422627500000005,
10.37478336862107
],
[
0.3211724945053094,
1.0807542500000002,
1.908505736383283
],
[... | [
[
4.254672917261366,
0,
-0.715996754995647
],
[
1.6550967571129085e-15,
4.323017,
2.6470844658547967e-16
],
[
0,
0,
12.99928586
]
] | [
71,
71,
52,
52,
52,
52,
52,
52
] | [
1,
1,
1
] | -1.145361 | 0 | 0 | 63 | 63 | [
"Lu",
"Te"
] |
mp-1216742 | mp-1216742 | U3P2Se | # generated using pymatgen
data_U3P2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.88422938
_cell_length_b 6.88422938
_cell_length_c 6.88422938
_cell_angle_alpha 146.51733427
_cell_angle_beta 131.85846476
_cell_angle_gamma 59.91093742
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_U3P2Se
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96602400
_cell_length_b 5.61566800
_cell_length_c 11.92918200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
3.453441787856968,
2.540421909661352,
4.596594252683438
],
[
0.664005394461729,
4.18855110861707,
2.207458328779534
],
[
2.4449543250741876,
0.8922927107056332,
1.243919613783212
],
[
1.047365004075577,
1.7116651509163485,
3.4819214084688737
],
[
... | [
[
3.797923856178019,
0,
-1.14241881719587
],
[
-0.6889641366421022,
5.080843819322704,
-2.290432620241385
],
[
0,
0,
6.884229380000001
]
] | [
92,
92,
92,
15,
15,
34
] | [
1,
1,
1
] | -1.076718 | 0 | 0 | 71 | 71 | [
"P",
"Se",
"U"
] |
mp-22656 | mp-22656 | GdInPt2 | # generated using pymatgen
data_GdInPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61385283
_cell_length_b 4.61385283
_cell_length_c 9.10858700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00001191
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_GdInPt2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.61385283
_cell_length_b 4.61385283
_cell_length_c 9.10858700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-1.366711928922886e-16,
2.6638093332477437,
2.2771467500000004
],
[
2.306925999708047,
1.3319046666238719,
6.831440250000001
],
[
0,
0,
4.5542935
],
[
0,
0,
0
],
[
-1.366711928922886e-16,
2.6638093332477437,
8.286300199988
],
[
2.... | [
[
4.613851999416094,
0,
1.3069978985341392e-15
],
[
-2.3069259997080476,
3.9957139998716156,
2.825170049998228e-16
],
[
0,
0,
9.108587
]
] | [
64,
64,
49,
49,
78,
78,
78,
78
] | [
1,
1,
1
] | -0.935307 | 0 | 0 | 194 | 194 | [
"Gd",
"In",
"Pt"
] |
mp-1104121 | mp-1104121 | Li2La2Si3 | # generated using pymatgen
data_Li2La2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.66717401
_cell_length_b 9.66717401
_cell_length_c 6.91319200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 153.03352214
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Li2La2Si3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50801400
_cell_length_b 18.80145801
_cell_length_c 6.91319200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
3.562646268099267,
3.035437430168,
5.191463116268061
],
[
0.8211186168314967,
3.8777545698319997,
3.424618288481285
],
[
3.5626462680992668,
0.42115856983199995,
5.191463116268061
],
[
0.821118616831497,
6.492033430167999,
3.424618288481285
],
[
... | [
[
4.383764884930763,
0,
-1.051092605250654
],
[
1.1117260636763324e-15,
6.913192,
4.2331092273455443e-16
],
[
0,
0,
9.66717401
]
] | [
3,
3,
3,
3,
57,
57,
57,
57,
14,
14,
14,
14,
14,
14
] | [
1,
1,
1
] | -0.598438 | 0 | 0 | 63 | 63 | [
"La",
"Li",
"Si"
] |
mp-1209786 | mp-1209786 | Nd2MgPtO6 | # generated using pymatgen
data_Nd2MgPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76395700
_cell_length_b 5.51087700
_cell_length_c 9.60708382
_cell_angle_alpha 55.26446254
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Nd2MgPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51087700
_cell_length_b 5.76395700
_cell_length_c 9.60708382
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.73553746
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.418174586363071,
2.5231318290509996,
2.0027442563064075
],
[
0.09264234340635433,
3.2408251709490004,
5.918085633860956
],
[
2.8480508082910663,
5.405110329050999,
1.983401520394143
],
[
2.6627661214783584,
0.358846670949,
5.93742836977322
],
[
... | [
[
5.510816929769424,
0,
0.025730831616868653
],
[
-3.5294057452364907e-16,
5.763957,
3.5294057452364907e-16
],
[
0,
0,
7.895099058550494
]
] | [
60,
60,
60,
60,
12,
12,
78,
78,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.862193 | 2.0683 | 0 | 14 | 14 | [
"Mg",
"Nd",
"O",
"Pt"
] |
mp-985569 | mp-985569 | Sr2YCu3O7 | # generated using pymatgen
data_Sr2YCu3O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73095000
_cell_length_b 3.89694700
_cell_length_c 11.54373300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Sr2YCu3O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.73095000
_cell_length_b 3.89694700
_cell_length_c 11.54373300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.865475,
0,
9.480683213172
],
[
1.865475,
0,
2.063049786828
],
[
1.865475,
0,
5.7718665
],
[
-1.1930959174992202e-16,
1.9484735,
1.1930959174992202e-16
],
[
-1.1930959174992202e-16,
1.9484735,
7.536014408259001
],
[
-1.1930959174... | [
[
3.73095,
0,
2.2845479876394087e-16
],
[
-2.3861918349984404e-16,
3.896947,
2.3861918349984404e-16
],
[
0,
0,
11.543733
]
] | [
38,
38,
39,
29,
29,
29,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.217327 | 0 | 0.022087 | 47 | 47 | [
"Cu",
"O",
"Sr",
"Y"
] |
mp-554883 | mp-554883 | Al(HO)3 | # generated using pymatgen
data_Al(HO)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03957900
_cell_length_b 5.09405100
_cell_length_c 5.35956717
_cell_angle_alpha 105.95954051
_cell_angle_beta 98.89443058
_cell_angle_gamma 119.00328022
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Al(HO)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03957900
_cell_length_b 5.09405100
_cell_length_c 5.35956717
_cell_angle_alpha 105.95954051
_cell_angle_beta 98.89443058
_cell_angle_gamma 119.00328022
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-0.054205807213560095,
1.3605327522775414,
-0.5898859740576389
],
[
2.3140242145113916,
2.7130039753710666,
3.7696093308674814
],
[
0.43252854861086476,
3.7228622449122497,
2.539181593711868
],
[
-1.272005583021261,
2.570002468546962,
1.2274029990574729
... | [
[
4.9789775569599675,
0,
-0.7791912374571258
],
[
-2.7191591496621363,
4.073536727648608,
-1.400652575733032
],
[
0,
0,
5.35956717
]
] | [
13,
13,
1,
1,
1,
1,
1,
1,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.031343 | 4.9269 | 0.029964 | 2 | 2 | [
"Al",
"H",
"O"
] |
mp-1205703 | mp-1205703 | TmSiRu2C | # generated using pymatgen
data_TmSiRu2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89132188
_cell_length_b 5.89132188
_cell_length_c 7.12823900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 142.79098950
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_TmSiRu2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.75906200
_cell_length_b 11.16692200
_cell_length_c 7.12823900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
-1.2401038633815496e-15,
5.073154996702151,
5.3461792500000005
],
[
1.8795309991200988,
0.5103060013807883,
1.7820597500000006
],
[
1.8795309991200984,
2.595282007284919,
5.3461792500000005
],
[
-7.99299258425714e-16,
2.9881789907980205,
1.78205975000000... | [
[
3.759061998240198,
0,
1.0648555984850091e-15
],
[
-1.8795309991201004,
5.5834609980829395,
3.6073942415443836e-16
],
[
0,
0,
7.128239
]
] | [
69,
69,
14,
14,
44,
44,
44,
44,
6,
6
] | [
1,
1,
1
] | -0.593574 | 0 | 0 | 63 | 63 | [
"C",
"Ru",
"Si",
"Tm"
] |
mp-865997 | mp-865997 | YbPrZn2 | # generated using pymatgen
data_YbPrZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.19003367
_cell_length_b 5.19003367
_cell_length_c 5.19003367
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbPrZn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.33981601
_cell_length_b 7.33981601
_cell_length_c 7.33981601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.9964673364777212,
2.1188223732273888,
5.19003367
],
[
4.494701004716582,
3.178233559841084,
7.785050505
],
[
1.4982336682388604,
1.0594111866136937,
2.5950168349999996
]
] | [
[
4.494701004716583,
0,
2.5950168349999996
],
[
1.4982336682388597,
4.237644746454778,
2.595016834999999
],
[
0,
0,
5.19003367
]
] | [
70,
59,
30,
30
] | [
1,
1,
1
] | -0.335755 | 0 | 0 | 225 | 225 | [
"Yb",
"Pr",
"Zn"
] |
mp-1216394 | mp-1216394 | VCr | # generated using pymatgen
data_VCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.53305848
_cell_length_b 2.53305848
_cell_length_c 4.08625600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 109.57961262
_symmetry_Int_Tables_number 1
_chemical_formula_structural VC... | # generated using pymatgen
data_VCr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.92101000
_cell_length_b 4.13923201
_cell_length_c 4.08625600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural VCr... | [
[
0.8420945976880788,
1.1932944105209446,
2.043128
],
[
0,
0,
0
]
] | [
[
2.53305848,
0,
1.5510509797925298e-16
],
[
-0.8488692846238421,
2.3865888210418893,
1.5510509797925298e-16
],
[
0,
0,
4.086256
]
] | [
23,
24
] | [
1,
1,
1
] | -0.04156 | 0 | 0 | 65 | 65 | [
"Cr",
"V"
] |
mp-865652 | mp-865652 | TiMn2Si | # generated using pymatgen
data_TiMn2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.09557520
_cell_length_b 4.09557520
_cell_length_c 4.09557520
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TiMn2Si
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.79201799
_cell_length_b 5.79201799
_cell_length_c 5.79201799
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1822812637773992,
0.8360091309562453,
2.0477876
],
[
0,
0,
0
],
[
2.3645909025321323,
1.6720082298430456,
4.0955752
],
[
3.546872166309532,
2.50801736079929,
6.1433628
]
] | [
[
3.546872166309533,
0,
2.0477876000000004
],
[
1.1822907221031764,
3.3440231477323867,
2.047787600000001
],
[
0,
0,
4.095575199999999
]
] | [
22,
25,
25,
14
] | [
1,
1,
1
] | -0.506965 | 0 | 0 | 225 | 225 | [
"Ti",
"Mn",
"Si"
] |
mp-1102700 | mp-1102700 | TmGeIr | # generated using pymatgen
data_TmGeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28350100
_cell_length_b 6.77027200
_cell_length_c 7.62508400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_TmGeIr
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.28350100
_cell_length_b 6.77027200
_cell_length_c 7.62508400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0708752499999998,
3.428607916512,
5.294385574392001
],
[
1.07087525,
0.043471916512,
6.143240425608
],
[
3.21262575,
3.3416640834880003,
2.3306984256080003
],
[
3.2126257499999995,
6.726800083488,
1.4818435743920007
],
[
1.0708752499999998,
... | [
[
4.283501,
0,
2.6228878943972435e-16
],
[
-4.1455959670784747e-16,
6.770272,
4.1455959670784747e-16
],
[
0,
0,
7.625084
]
] | [
69,
69,
69,
69,
32,
32,
32,
32,
77,
77,
77,
77
] | [
1,
1,
1
] | -0.955617 | 0 | 0 | 62 | 62 | [
"Ge",
"Ir",
"Tm"
] |
mp-756344 | mp-756344 | Li4ZrO4 | # generated using pymatgen
data_Li4ZrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58378218
_cell_length_b 5.58378218
_cell_length_c 6.46217700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 95.89577988
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Li4ZrO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.48010400
_cell_length_b 8.29231800
_cell_length_c 6.46217700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.39008696084482103,
4.684984389778799,
6.462177
],
[
0.39008696084482103,
4.684984389778799,
3.2310885000000003
],
[
2.8363685365195552,
4.8980952593637435,
4.84663275
],
[
0.42938362737029334,
2.2297521070363087,
1.6155442500000008
],
[
4.58083... | [
[
5.58378218,
0,
3.419080486936515e-16
],
[
-0.5735620387694773,
5.554246125386248,
3.419080486936515e-16
],
[
0,
0,
6.462177
]
] | [
3,
3,
3,
3,
3,
3,
3,
3,
40,
40,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.694441 | 4.323 | 0.037005 | 63 | 63 | [
"Li",
"O",
"Zr"
] |
mp-1185504 | mp-1185504 | LuTe | # generated using pymatgen
data_LuTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03137151
_cell_length_b 4.03137151
_cell_length_c 3.97872400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999198
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | # generated using pymatgen
data_LuTe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.03137151
_cell_length_b 4.03137151
_cell_length_c 3.97872400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural L... | [
[
1.989362000000001,
2.3275136145994866,
-3.2579464984948414e-7
],
[
0,
0,
0
]
] | [
[
3.978724,
0,
2.436265805645377e-16
],
[
1.3366568656772875e-15,
3.4912704218992294,
-2.0156862436919747
],
[
0,
0,
4.03137151
]
] | [
71,
52
] | [
1,
1,
1
] | -1.340683 | 0 | 0 | 187 | 187 | [
"Lu",
"Te"
] |
mp-1079839 | mp-1079839 | Ba2GdMoO6 | # generated using pymatgen
data_Ba2GdMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04221100
_cell_length_b 6.05383953
_cell_length_c 6.05822619
_cell_angle_alpha 119.57834519
_cell_angle_beta 119.48028717
_cell_angle_gamma 90.66726266
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Ba2GdMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.04221100
_cell_length_b 6.05383953
_cell_length_c 6.05822619
_cell_angle_alpha 119.57834519
_cell_angle_beta 119.48028717
_cell_angle_gamma 90.66726266
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0.001516014595033543,
3.727154348154222,
0.045875296813932855
],
[
3.488076890549788,
1.231205334420429,
0.05057820367099732
],
[
0,
0,
0
],
[
1.7447964525724107,
2.4791798412873254,
-2.9808863447575353
],
[
2.505835087223308,
3.6432737774041... | [
[
5.259896121189992,
0,
-2.9735175403571272
],
[
-1.7703032160451702,
4.958359682574651,
-2.988255149157943
],
[
0,
0,
6.05822619
]
] | [
56,
56,
64,
42,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.040583 | 0.9385 | 0 | 2 | 2 | [
"Ba",
"Gd",
"Mo",
"O"
] |
mp-1222825 | mp-1222825 | Lu4Zr3O12 | # generated using pymatgen
data_Lu4Zr3O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33403400
_cell_length_b 6.33871205
_cell_length_c 6.39313581
_cell_angle_alpha 99.46779184
_cell_angle_beta 98.96779147
_cell_angle_gamma 99.62327626
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Lu4Zr3O12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.33403400
_cell_length_b 6.33871205
_cell_length_c 6.39313581
_cell_angle_alpha 99.46779184
_cell_angle_beta 98.96779147
_cell_angle_gamma 99.62327626
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
1.5859609960178378,
4.270785989618,
4.405314880248565
],
[
3.243402427751717,
5.277170776233148,
0.917305690392312
],
[
3.4333527078287283,
1.8579336014807761,
-0.04219804367152518
],
[
1.7759112760948494,
0.8515488148656285,
3.4458111461847283
],
[
... | [
[
6.256607549803584,
0,
-0.9873442565269691
],
[
-1.2372938459570177,
6.128719591098776,
-1.042674716895991
],
[
0,
0,
6.39313581
]
] | [
71,
71,
71,
71,
40,
40,
40,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.991992 | 4.1179 | 0 | 2 | 2 | [
"Lu",
"O",
"Zr"
] |
mp-1188179 | mp-1188179 | Er2Al3Ge4 | # generated using pymatgen
data_Er2Al3Ge4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.94741254
_cell_length_b 7.94741254
_cell_length_c 7.86761400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 135.66302697
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Er2Al3Ge4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99761800
_cell_length_b 14.71985199
_cell_length_c 7.86761400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0.6318863587809672,
3.2878129496879995,
1.5508279592201977
],
[
4.922377294515862,
4.579801050312,
4.133494458677565
],
[
2.145245467867449,
7.221619949688,
5.265039519728685
],
[
3.409018185429381,
0.645994050312,
0.4192828981690772
],
[
0,
... | [
[
5.55426365329683,
0,
-2.2630901221022404
],
[
1.2652088272312999e-15,
7.867614,
4.817524151013452e-16
],
[
0,
0,
7.947412540000001
]
] | [
68,
68,
68,
68,
13,
13,
13,
13,
13,
13,
32,
32,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.412034 | 0 | 0.019733 | 64 | 64 | [
"Al",
"Er",
"Ge"
] |
mp-1223761 | mp-1223761 | La2Ga7Au | # generated using pymatgen
data_La2Ga7Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46923000
_cell_length_b 4.46923000
_cell_length_c 10.62646800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_La2Ga7Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.46923000
_cell_length_b 4.46923000
_cell_length_c 10.62646800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0,
0,
10.606097060844
],
[
2.234615,
2.234615,
5.252599373592
],
[
-1.3683070535383312e-16,
2.234615,
2.655054909204
],
[
2.234615,
0,
7.967045612447999
],
[
2.234615,
0,
2.655054909204
],
[
-1.3683070535383312e-16,
2.234615,
... | [
[
4.46923,
0,
2.7366141070766625e-16
],
[
-2.7366141070766625e-16,
4.46923,
2.7366141070766625e-16
],
[
0,
0,
10.626468
]
] | [
57,
57,
31,
31,
31,
31,
31,
31,
31,
79
] | [
1,
1,
1
] | -0.588828 | 0 | 0 | 99 | 99 | [
"Au",
"Ga",
"La"
] |
mp-1219106 | mp-1219106 | SmY(MnGe)4 | # generated using pymatgen
data_SmY(MnGe)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96785300
_cell_length_b 3.96785300
_cell_length_c 10.87382100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_SmY(MnGe)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.96785300
_cell_length_b 3.96785300
_cell_length_c 10.87382100
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
0,
0,
0
],
[
1.9839264999999997,
1.9839265,
5.4369105
],
[
-1.2148046189843057e-16,
1.9839265,
2.729709654735
],
[
1.9839265,
0,
8.144111345265
],
[
1.9839265,
0,
2.729709654735
],
[
-1.2148046189843057e-16,
1.9839265,
8.1... | [
[
3.967853,
0,
2.4296092379686114e-16
],
[
-2.4296092379686114e-16,
3.967853,
2.4296092379686114e-16
],
[
0,
0,
10.873821
]
] | [
62,
39,
25,
25,
25,
25,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.483708 | 0 | 0 | 123 | 123 | [
"Ge",
"Mn",
"Sm",
"Y"
] |
mp-21434 | mp-21434 | CoCO3 | # generated using pymatgen
data_CoCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70955201
_cell_length_b 5.72108637
_cell_length_c 4.70948218
_cell_angle_alpha 114.30788750
_cell_angle_beta 119.99591712
_cell_angle_gamma 90.00526530
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CoCO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70951710
_cell_length_b 4.70951710
_cell_length_c 15.10014102
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
2.354741089967298,
6.245504820681588e-17,
2.8603555239747784
],
[
2.3545798691085142,
1.794238555829059,
5.259919787930516
],
[
4.709377454777643,
1.7944825888668985,
2.399194591893357
],
[
3.0034990999238196,
2.783573612277696,
... | [
[
4.709482179934596,
0,
0.000024820190049343646
],
[
2.354475143951562,
3.588721144695958,
1.9384033318743157
],
[
0,
0,
5.720686227759508
]
] | [
27,
27,
6,
6,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.671462 | 0 | 0 | 167 | 167 | [
"C",
"Co",
"O"
] |
mp-1294847 | mp-1294847 | Sr2VMoO6 | # generated using pymatgen
data_Sr2VMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.64080377
_cell_length_b 5.64067225
_cell_length_c 8.04125126
_cell_angle_alpha 90.01976968
_cell_angle_beta 90.01995163
_cell_angle_gamma 90.23713383
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr2VMoO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.96068323
_cell_length_b 7.99369900
_cell_length_c 4.02062563
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.012449461414382183,
2.8198360442634516,
2.010255891116215
],
[
5.65156903272936,
2.8209190692452446,
6.030977410418062
],
[
2.844351325600664,
5.640162834221779,
2.010190603823246
],
[
2.819661551217744,
0.0005979200420319212,
6.03104269380049
],
[... | [
[
5.640671914219957,
0,
0.0019462914040495054
],
[
0.02334657992378535,
5.640755113508697,
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],
[
0,
0,
8.04125126
]
] | [
38,
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38,
38,
23,
23,
42,
42,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.688907 | 0 | 0.077411 | 65 | 65 | [
"Mo",
"O",
"Sr",
"V"
] |
mp-1217897 | mp-1217897 | TaMoW | # generated using pymatgen
data_TaMoW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.15434251
_cell_length_b 6.96062245
_cell_length_c 2.80913460
_cell_angle_alpha 82.42249472
_cell_angle_beta 74.67161514
_cell_angle_gamma 22.90589014
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TaMoW
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.21150600
_cell_length_b 4.60990000
_cell_length_c 13.54574800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.1681083819480678,
1.723221041101681,
1.8202385368387957
],
[
1.7492844135677763,
2.580585633076316,
6.18903343755218
],
[
0.5893520030295306,
0.8694259778721966,
4.430255009630926
]
] | [
[
2.784603519756506,
0,
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],
[
-1.031231997169581,
2.58661503271758,
-0.3704327758854928
],
[
0,
0,
6.960622449999999
]
] | [
73,
42,
74
] | [
1,
1,
1
] | -0.086084 | 0 | 0.016253 | 42 | 42 | [
"Mo",
"Ta",
"W"
] |
mp-1173504 | mp-1173504 | NbS2 | # generated using pymatgen
data_NbS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37655947
_cell_length_b 3.37135458
_cell_length_c 25.69727767
_cell_angle_alpha 80.33264933
_cell_angle_beta 95.54480098
_cell_angle_gamma 120.09526274
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NbS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.36910073
_cell_length_b 3.37135458
_cell_length_c 25.34993902
_cell_angle_alpha 92.13395629
_cell_angle_beta 89.66015386
_cell_angle_gamma 119.87567502
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.22375189049017,
2.0171580478681235,
16.98703223802221
],
[
0.7289879565534784,
0.9036366258048227,
8.486247504429873
],
[
1.520189842941158,
0.33413529480526494,
25.369312435623556
],
[
1.3310573661305516,
0.05608696461684097,
15.35230309417271
],
... | [
[
3.3690414658417143,
0,
0.019983481599792026
],
[
1.6786228999628012,
2.921043936088826,
0.12553560150869877
],
[
0,
0,
25.349939018844104
]
] | [
41,
41,
41,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.31103 | 0 | 0.038143 | 1 | 1 | [
"Nb",
"S"
] |
mp-861962 | mp-861962 | BaSb2F12 | # generated using pymatgen
data_BaSb2F12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34953000
_cell_length_b 5.70952975
_cell_length_c 9.47594243
_cell_angle_alpha 91.62097701
_cell_angle_beta 104.43422406
_cell_angle_gamma 117.55709721
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_BaSb2F12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34953000
_cell_length_b 5.70952975
_cell_length_c 9.47594243
_cell_angle_alpha 91.62097701
_cell_angle_beta 104.43422406
_cell_angle_gamma 117.55709721
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
-2.500945909461145,
4.868747540937748,
8.286115038372325
],
[
-0.7496192297593447,
2.503017757014288,
5.204319213096916
],
[
0.5242882898167807,
3.4305574609258707,
0.7435047185855587
],
[
-0.7897982715104193,
2.595670919806157,
9.000329395383755
],
... | [
[
5.180669091270166,
0,
-1.3334687801587104
],
[
-2.7690796262495123,
4.990475212316573,
-0.16150896222430655
],
[
0,
0,
9.47594243
]
] | [
56,
51,
51,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.984622 | 4.4225 | 0.009188 | 1 | 1 | [
"Ba",
"F",
"Sb"
] |
mp-1105404 | mp-1105404 | Mn7CdO12 | # generated using pymatgen
data_Mn7CdO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.46351500
_cell_length_b 6.52599082
_cell_length_c 6.52601841
_cell_angle_alpha 109.66375043
_cell_angle_beta 109.27856394
_cell_angle_gamma 109.27785183
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Mn7CdO12
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.66952564
_cell_length_b 10.66952564
_cell_length_c 6.46351500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.0504436972409175,
0.00004267810507951117,
2.196137959427961
],
[
-1.5252554924263857,
2.667322885074964,
2.164965346285749
],
[
1.525252265705737,
2.667381567469448,
-2.164927722237423
],
[
6.101006365471288,
0.00008002144702408345,
1.1289542710321068
... | [
[
6.101070428452253,
0,
-2.1340022920068358
],
[
-3.050651312026777,
5.334763134938896,
-2.1959929529145823
],
[
0,
0,
6.52601841
]
] | [
25,
25,
25,
25,
25,
25,
25,
48,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -1.887859 | 0 | 0.051914 | 148 | 148 | [
"Cd",
"Mn",
"O"
] |
mp-1209351 | mp-1209351 | Pr2ZnPtO6 | # generated using pymatgen
data_Pr2ZnPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.85969700
_cell_length_b 5.55439000
_cell_length_c 9.66377868
_cell_angle_alpha 55.04809413
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Pr2ZnPtO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.55439000
_cell_length_b 5.85969700
_cell_length_c 9.66377868
_cell_angle_alpha 90.00000000
_cell_angle_beta 124.95190587
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
5.452669295173508,
2.5441925419449993,
1.9975474267802322
],
[
0.1017061691268026,
3.3155044580549995,
5.935934531555149
],
[
2.8788939012769577,
5.474041041945,
1.9819007817750194
],
[
2.6754815630233524,
0.38565595805499997,
5.951581176560362
],
[
... | [
[
5.5543754643003105,
0,
0.012707229387560927
],
[
-3.588029587511674e-16,
5.859697,
3.588029587511674e-16
],
[
0,
0,
7.920774728947821
]
] | [
59,
59,
59,
59,
30,
30,
78,
78,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.561705 | 0 | 0 | 14 | 14 | [
"O",
"Pr",
"Pt",
"Zn"
] |
mp-1112688 | mp-1112688 | Cs2LiCeBr6 | # generated using pymatgen
data_Cs2LiCeBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.05364925
_cell_length_b 8.05364925
_cell_length_c 8.05364925
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cs2LiCeBr6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.38958000
_cell_length_b 11.38958000
_cell_length_c 11.38958000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
2.324888281223163,
1.643944269154035,
4.026824624999999
],
[
6.97466484366949,
4.931832807462107,
12.080473874999997
],
[
4.649776562446325,
3.287888538308071,
8.05364925
],
[
0,
0,
0
],
[
3.5114089648750926,
4.897783433759387,
6.08193873... | [
[
6.9746648436694905,
0,
4.026824625000001
],
[
2.324888281223163,
6.575777076616142,
4.026824625
],
[
0,
0,
8.053649249999998
]
] | [
55,
55,
3,
58,
35,
35,
35,
35,
35,
35
] | [
1,
1,
1
] | -2.135521 | 0.45 | 0 | 225 | 225 | [
"Br",
"Ce",
"Cs",
"Li"
] |
mp-1079772 | mp-1079772 | Ca(InP)2 | # generated using pymatgen
data_Ca(InP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08559606
_cell_length_b 4.08559606
_cell_length_c 17.54585800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000104
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Ca(InP)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.08559606
_cell_length_b 4.08559606
_cell_length_c 17.54585800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
0,
0,
0
],
[
0,
0,
8.772929
],
[
-2.252122931025757e-16,
2.3588199974009725,
14.566080027576
],
[
2.0427979978880435,
1.1794099987004862,
2.9797779724240003
],
[
2.0427979978880435,
1.1794099987004862,
5.793151027576001
],
[
-2.25... | [
[
4.085595995776088,
0,
1.1573551517072128e-15
],
[
-2.0427979978880444,
3.538229996101458,
2.501706068744019e-16
],
[
0,
0,
17.545858
]
] | [
20,
20,
49,
49,
49,
49,
15,
15,
15,
15
] | [
1,
1,
1
] | -0.582008 | 0.4085 | 0 | 194 | 194 | [
"Ca",
"In",
"P"
] |
mp-752537 | mp-752537 | Sr2HfO4 | # generated using pymatgen
data_Sr2HfO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37030600
_cell_length_b 6.07776900
_cell_length_c 10.34224000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Sr2HfO4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.37030600
_cell_length_b 6.07776900
_cell_length_c 10.34224000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.685153,
0.401546042292,
7.02630066896
],
[
1.6851529999999997,
2.6373384577079997,
1.8551806689600003
],
[
1.6851529999999997,
3.4404305422920003,
8.487059331040001
],
[
1.6851529999999995,
5.676222957708,
3.3159393310400005
],
[
0,
0,
... | [
[
3.370306,
0,
2.0637172275235596e-16
],
[
-3.721560175903505e-16,
6.077769,
3.721560175903505e-16
],
[
0,
0,
10.34224
]
] | [
38,
38,
38,
38,
72,
72,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.556288 | 3.8414 | 0.046418 | 55 | 55 | [
"Hf",
"O",
"Sr"
] |
mp-1080743 | mp-1080743 | Er2CuGe6 | # generated using pymatgen
data_Er2CuGe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.83878957
_cell_length_b 10.83878957
_cell_length_c 4.08374700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 158.46363435
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Er2CuGe6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05014800
_cell_length_b 21.29586201
_cell_length_c 4.08374700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | [
[
0.019949851474569534,
4.7143324065029497e-32,
0.10489722447096081
],
[
2.661132730908669,
4.7143324065029497e-32,
3.1535671037816426
],
[
0.8918267967819018,
2.0418734999999995,
4.6892657727551805
],
[
1.135287399469863,
1.478154601623292e-31,
5.96939267... | [
[
3.9788295721120077,
0,
-0.7567126719185442
],
[
6.567166046249014e-16,
4.083747,
2.500573846038803e-16
],
[
0,
0,
10.838789569999998
]
] | [
68,
68,
29,
32,
32,
32,
32,
32,
32
] | [
1,
1,
1
] | -0.388278 | 0 | 0.050845 | 38 | 38 | [
"Cu",
"Er",
"Ge"
] |
mp-23211 | mp-23211 | PrCl3 | # generated using pymatgen
data_PrCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55425498
_cell_length_b 7.55425498
_cell_length_c 4.31137300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000857
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_PrCl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.55425498
_cell_length_b 7.55425498
_cell_length_c 4.31137300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.0778432500000008,
2.1807253847940857,
3.7771278161813964
],
[
3.2335297500000015,
4.3614507695881715,
6.523627919427648e-7
],
[
1.0778432500000008,
2.5591357571904796,
-0.8277004497391267
],
[
3.2335297499999998,
0.5627645349761162,
4.924131656191139
... | [
[
4.311373,
0,
2.6399545721901606e-16
],
[
2.504717084753419e-15,
6.542176154382257,
-3.7771265114558115
],
[
0,
0,
7.55425498
]
] | [
59,
59,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.758121 | 4.3491 | 0 | 176 | 176 | [
"Pr",
"Cl"
] |
mp-1206747 | mp-1206747 | LuTl | # generated using pymatgen
data_LuTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50462800
_cell_length_b 3.50462800
_cell_length_c 4.24146300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Lu... | # generated using pymatgen
data_LuTl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.50462800
_cell_length_b 3.50462800
_cell_length_c 4.24146300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Lu... | [
[
0,
0,
0
],
[
1.752314,
1.752314,
2.1207315
]
] | [
[
3.504628,
0,
2.145965731201095e-16
],
[
-2.145965731201095e-16,
3.504628,
2.145965731201095e-16
],
[
0,
0,
4.241463
]
] | [
71,
81
] | [
1,
1,
1
] | -0.256469 | 0 | 0 | 123 | 123 | [
"Lu",
"Tl"
] |
mp-1215967 | mp-1215967 | Zr2Ti(PbO3)3 | # generated using pymatgen
data_Zr2Ti(PbO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.21468861
_cell_length_b 4.21468861
_cell_length_c 12.38816073
_cell_angle_alpha 89.28910244
_cell_angle_beta 89.28910244
_cell_angle_gamma 88.94671028
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Zr2Ti(PbO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.01500400
_cell_length_b 5.90543200
_cell_length_c 12.38816073
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.99627064
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
0.11752301607983948,
0.11539960939025773,
0.06974794480123753
],
[
0.11280269922557157,
0.11076457925445216,
4.30814298996062
],
[
0.2169886745935353,
0.21306812167918174,
8.372574286253135
],
[
2.4807410667745673,
2.43591901955335,
2.4360513622163644
... | [
[
4.21436419665661,
0,
0.05229242012573474
],
[
0.07683294358654363,
4.213663759822436,
0.05229242012573475
],
[
0,
0,
12.38816073
]
] | [
40,
40,
22,
82,
82,
82,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.798555 | 3.0872 | 0.028842 | 8 | 8 | [
"O",
"Pb",
"Ti",
"Zr"
] |
mp-863686 | mp-863686 | Pm2HgGe | # generated using pymatgen
data_Pm2HgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.27936247
_cell_length_b 5.27936247
_cell_length_c 5.27936247
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Pm2HgGe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.46614601
_cell_length_b 7.46614601
_cell_length_c 7.46614601
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
4.572062014806161,
3.232936054674865,
7.919043704999998
],
[
1.5240206716020537,
1.0776453515582889,
2.639681235
],
[
0,
0,
0
],
[
3.048041343204107,
2.155290703116577,
5.279362469999999
]
] | [
[
4.5720620148061615,
0,
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],
[
1.5240206716020523,
4.310581406233154,
2.639681235
],
[
0,
0,
5.279362469999999
]
] | [
61,
61,
80,
32
] | [
1,
1,
1
] | -0.572644 | 0 | 0 | 225 | 225 | [
"Pm",
"Hg",
"Ge"
] |
mp-1025235 | mp-1025235 | Fe(CoSe2)2 | # generated using pymatgen
data_Fe(CoSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.35250817
_cell_length_b 6.35250817
_cell_length_c 6.19943388
_cell_angle_alpha 61.48945353
_cell_angle_beta 61.48945353
_cell_angle_gamma 32.46101201
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Fe(CoSe2)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 12.19865799
_cell_length_b 3.55108200
_cell_length_c 6.19943388
_cell_angle_alpha 90.00000000
_cell_angle_beta 119.81055291
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
0,
0,
0
],
[
0.6490823455991823,
1.5027662934097406,
2.229724221374936
],
[
1.8990595751313264,
3.8763207067539884,
0.17113118210017841
],
[
0.037661551499835695,
2.4453759829704325,
0.12937476140446297
],
[
2.510480369230673,
2.9337110171932... | [
[
3.4095536474721246,
0,
-0.9925357843503971
],
[
-0.8614117267416158,
5.37908700016373,
-2.9591169821744887
],
[
0,
0,
6.35250817
]
] | [
26,
27,
27,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.543096 | 0 | 0.038026 | 12 | 12 | [
"Co",
"Fe",
"Se"
] |
mp-1188875 | mp-1188875 | Te6IrI3 | # generated using pymatgen
data_Te6IrI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.12907392
_cell_length_b 10.12907392
_cell_length_c 10.12907368
_cell_angle_alpha 109.63060395
_cell_angle_beta 109.63060395
_cell_angle_gamma 109.63060140
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | # generated using pymatgen
data_Te6IrI3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 16.55696003
_cell_length_b 16.55696003
_cell_length_c 10.04910215
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
3.1023195504254653,
8.145337238473491,
1.6516571162520528
],
[
4.229243174537531,
6.444200655004887,
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],
[
-0.5888663062761855,
1.9674221722049903,
1.2470558375945238
],
[
4.229243386006761,
1.8342793778367967,
-0.1969363694990221
],
... | [
[
9.483693135650011,
0,
-3.3232541989395132
],
[
-4.741846947580686,
8.278480032841685,
-3.4029096885438226
],
[
0,
0,
10.12907392
]
] | [
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
77,
77,
53,
53,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.316406 | 1.159 | 0.052871 | 167 | 167 | [
"I",
"Ir",
"Te"
] |
mp-752422 | mp-752422 | IClO | # generated using pymatgen
data_IClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.44364084
_cell_length_b 9.44364084
_cell_length_c 9.44364089
_cell_angle_alpha 114.43557290
_cell_angle_beta 114.43557290
_cell_angle_gamma 114.43557746
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_IClO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.87919382
_cell_length_b 15.87919382
_cell_length_c 6.79667492
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-0.5578107304399562,
5.266016987429441,
1.9441027237571382
],
[
0.09474036346539824,
4.151591358857601,
5.625665025827433
],
[
2.282898154738331,
1.1144256285718397,
5.036671227659361
],
[
1.016197640257586,
6.825171192327115,
-1.1301225569921824
],
... | [
[
6.598190661097501,
0,
-1.630542835080242
],
[
-3.2990948661015853,
7.939596820898956,
-3.9065493342525794
],
[
0,
0,
9.44364084
]
] | [
53,
53,
53,
53,
53,
53,
17,
17,
17,
17,
17,
17,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -0.59308 | 1.0432 | 0.060975 | 148 | 148 | [
"Cl",
"I",
"O"
] |
mp-2143 | mp-2143 | USe | # generated using pymatgen
data_USe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.05343588
_cell_length_b 4.05343588
_cell_length_c 4.05343588
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural USe... | # generated using pymatgen
data_USe
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.73242400
_cell_length_b 5.73242400
_cell_length_c 5.73242400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural USe... | [
[
2.340252296460888,
1.6548082685148844,
4.05343588
],
[
0,
0,
0
]
] | [
[
3.5103784446913315,
0,
2.0267179400000006
],
[
1.1701261482304437,
3.3096165370297674,
2.02671794
],
[
0,
0,
4.053435879999999
]
] | [
92,
34
] | [
1,
1,
1
] | -1.223744 | 0 | 0 | 225 | 225 | [
"U",
"Se"
] |
mp-1079600 | mp-1079600 | Cs2S3 | # generated using pymatgen
data_Cs2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.79220706
_cell_length_b 6.79220706
_cell_length_c 8.45192200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 108.82426927
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Cs2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.90546000
_cell_length_b 11.04717200
_cell_length_c 8.45192200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
5.866837073886616,
0.6622034499396481,
0.25850203437000113
],
[
-1.2662486899103076,
5.766706591802887,
4.48446303437
],
[
1.6609512496582923,
3.6719748329019164,
2.63243562612
],
[
2.939637134318016,
2.7569352088406176,
6.85839662612
],
[
2.4695... | [
[
6.792207060000001,
0,
4.159027317587528e-16
],
[
-2.191618676023692,
6.428910041742535,
4.1590273175875273e-16
],
[
0,
0,
8.451922
]
] | [
55,
55,
55,
55,
16,
16,
16,
16,
16,
16
] | [
1,
1,
1
] | -1.107848 | 1.3824 | 0 | 36 | 36 | [
"Cs",
"S"
] |
mp-29748 | mp-29748 | TePdI | # generated using pymatgen
data_TePdI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.10910500
_cell_length_b 8.10910500
_cell_length_c 5.70069800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_TePdI
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.10910500
_cell_length_b 8.10910500
_cell_length_c 5.70069800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
5.700698,
9.430314249005069e-33,
1.7016632478300002
],
[
2.850349,
1.70166324783,
2.787303614492279e-16
],
[
2.8503489999999996,
6.407433643065,
5.668756940515738e-16
],
[
2.959317220748821e-32,
1.1199236089214028e-32,
6.407433643065
],
[
5.70069... | [
[
5.700698,
0,
3.490670779302859e-16
],
[
-4.965394741099898e-16,
8.109105,
4.965394741099898e-16
],
[
0,
0,
8.109105
]
] | [
52,
52,
52,
52,
46,
46,
46,
46,
53,
53,
53,
53
] | [
1,
1,
1
] | -0.587271 | 0 | 0 | 131 | 131 | [
"Te",
"Pd",
"I"
] |
mp-1095659 | mp-1095659 | YbAlB4 | # generated using pymatgen
data_YbAlB4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.99509825
_cell_length_b 5.99509825
_cell_length_c 3.47221200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 103.97212777
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_YbAlB4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.38419999
_cell_length_b 9.44660799
_cell_length_c 3.47221200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
-2.491253500786703e-16,
4.068525721083354,
0.7902327769906218
],
[
-1.0710744614097085e-16,
1.7491973394376772,
3.757349870939794
],
[
-6.525686100829118e-17,
1.0657254165646055,
0.8330534749437811
],
[
3.4722119999999994,
4.751997643956425,
3.7145291729... | [
[
3.472212,
0,
2.1261166558805147e-16
],
[
-3.562327962196412e-16,
5.817723060521031,
-1.4475156020695843
],
[
0,
0,
5.99509825
]
] | [
70,
70,
13,
13,
5,
5,
5,
5,
5,
5,
5,
5
] | [
1,
1,
1
] | -0.363999 | 0 | 0.051331 | 65 | 65 | [
"Al",
"B",
"Yb"
] |
mp-1080569 | mp-1080569 | Tl3Au | # generated using pymatgen
data_Tl3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08973000
_cell_length_b 6.08973000
_cell_length_c 6.08973000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | # generated using pymatgen
data_Tl3Au
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.08973000
_cell_length_b 6.08973000
_cell_length_c 6.08973000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural T... | [
[
-1.8644420880429028e-16,
3.044865,
4.5672975000000005
],
[
3.044865,
1.5224325,
2.7966631320643543e-16
],
[
4.5672975000000005,
0,
3.0448650000000006
],
[
-1.8644420880429028e-16,
3.044865,
1.5224325000000003
],
[
3.0448649999999997,
4.567297... | [
[
6.08973,
0,
3.7288841760858056e-16
],
[
-3.7288841760858056e-16,
6.08973,
3.7288841760858056e-16
],
[
0,
0,
6.08973
]
] | [
81,
81,
81,
81,
81,
81,
79,
79
] | [
1,
1,
1
] | 0.040781 | 0 | 0.069405 | 223 | 223 | [
"Au",
"Tl"
] |
mp-866077 | mp-866077 | MgSc2Cd | # generated using pymatgen
data_MgSc2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.03636239
_cell_length_b 5.03636239
_cell_length_c 5.03636239
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_MgSc2Cd
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.12249200
_cell_length_b 7.12249200
_cell_length_c 7.12249200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.9077451816030058,
2.056086335873994,
5.036362389999997
],
[
1.4538725908015029,
1.0280431679369968,
2.5181811949999986
],
[
4.361617772404509,
3.084129503810992,
7.554543584999998
],
[
0,
0,
0
]
] | [
[
4.36161777240451,
0,
2.518181194999999
],
[
1.4538725908015024,
4.112172671747991,
2.518181194999999
],
[
0,
0,
5.036362389999999
]
] | [
12,
21,
21,
48
] | [
1,
1,
1
] | -0.168896 | 0 | 0 | 225 | 225 | [
"Mg",
"Sc",
"Cd"
] |
mp-580631 | mp-580631 | Cs2KTbCl6 | # generated using pymatgen
data_Cs2KTbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.04335802
_cell_length_b 8.04335802
_cell_length_c 8.04335802
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural... | # generated using pymatgen
data_Cs2KTbCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.37502600
_cell_length_b 11.37502600
_cell_length_c 11.37502600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structu... | [
[
2.3219174590177665,
1.6418435806269,
4.021679009999999
],
[
6.9657523770533,
4.925530741880702,
12.06503703
],
[
4.643834918035534,
3.2836871612538023,
8.04335802
],
[
0,
0,
0
],
[
3.405031583795621,
5.035619637648897,
5.89768770451074
... | [
[
6.965752377053302,
0,
4.021679010000001
],
[
2.3219174590177656,
6.567374322507603,
4.02167901
],
[
0,
0,
8.043358019999998
]
] | [
55,
55,
19,
65,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.519057 | 5.2262 | 0 | 225 | 225 | [
"Cl",
"Cs",
"K",
"Tb"
] |
mp-1181398 | mp-1181398 | FeF3 | # generated using pymatgen
data_FeF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23321600
_cell_length_b 5.23321600
_cell_length_c 6.98452400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000001
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | # generated using pymatgen
data_FeF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.23321600
_cell_length_b 5.23321600
_cell_length_c 6.98452400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural F... | [
[
1.0239157672808914e-16,
3.0213986664796844,
4.610777642408001
],
[
0,
0,
0
],
[
2.616607999604501,
1.510699333239842,
2.373746357592002
],
[
-1.5279028261690581,
3.423179729050153,
5.769587003772001
],
[
3.728514636172436,
0.3883917343799639,... | [
[
5.233215999209001,
0,
1.4824494401656168e-15
],
[
-2.6166079996045006,
4.532097999719526,
3.204420611823357e-16
],
[
0,
0,
6.984524
]
] | [
26,
26,
26,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | [
1,
1,
1
] | -2.600623 | 3.073 | 0.038019 | 150 | 150 | [
"F",
"Fe"
] |
mp-7293 | mp-7293 | HgPSe3 | # generated using pymatgen
data_HgPSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.72067980
_cell_length_b 6.72067980
_cell_length_c 15.19005263
_cell_angle_alpha 86.06077872
_cell_angle_beta 86.06077872
_cell_angle_gamma 120.20217304
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_HgPSe3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.70013200
_cell_length_b 11.65239800
_cell_length_c 15.19005263
_cell_angle_alpha 90.00000000
_cell_angle_beta 97.92159274
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
7.794103439372508,
4.688196679346092,
9.631608503583521
],
[
5.478289811571431,
4.688196679346092,
15.000265666539713
],
[
2.1601914988354465,
1.138002319437382,
6.943540545258903
],
[
4.476005126636523,
1.1380023194373818,
1.5748833823027117
],
[
... | [
[
6.636196625471969,
0,
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],
[
3.3180983127359847,
5.8261989987834735,
0.46169880628080945
],
[
0,
0,
15.19005263
]
] | [
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15,
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34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | [
1,
1,
1
] | -0.403958 | 1.2149 | 0 | 15 | 15 | [
"Hg",
"P",
"Se"
] |
mp-567456 | mp-567456 | CaGe2 | # generated using pymatgen
data_CaGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.75019896
_cell_length_b 5.75019896
_cell_length_c 5.75019948
_cell_angle_alpha 40.82662612
_cell_angle_beta 40.82662612
_cell_angle_gamma 40.82662889
_symmetry_Int_Tables_number 1
_chemical_formula_structural C... | # generated using pymatgen
data_CaGe2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.01122196
_cell_length_b 4.01122196
_cell_length_c 15.78966137
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
4.291897101673072,
2.707198090269758,
5.718236443820071
],
[
1.0867435956032956,
0.6854847907428316,
2.830110706985881
]
] | [
[
3.759320910020213,
0,
1.3990738354029755
],
[
1.6193197872561547,
3.3926828810125893,
1.3990738354029755
],
[
0,
0,
5.75019948
]
] | [
20,
32,
32
] | [
1,
1,
1
] | -0.475702 | 0 | 0.003415 | 166 | 166 | [
"Ca",
"Ge"
] |
mp-11806 | mp-11806 | LiMgSnPt | # generated using pymatgen
data_LiMgSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.59517019
_cell_length_b 4.59517019
_cell_length_c 4.59517019
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_LiMgSnPt
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.49855200
_cell_length_b 6.49855200
_cell_length_c 6.49855200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
1.3265113730843219,
0.9379851872290029,
2.297585094999999
],
[
2.653022746168644,
1.8759703744580045,
4.595170189999998
],
[
0,
0,
0
],
[
3.979534119252966,
2.8139555616870076,
6.892755285
]
] | [
[
3.979534119252966,
0,
2.2975850949999996
],
[
1.3265113730843212,
3.75194074891601,
2.2975850949999996
],
[
0,
0,
4.59517019
]
] | [
3,
12,
50,
78
] | [
1,
1,
1
] | -0.666007 | 0 | 0 | 216 | 216 | [
"Li",
"Mg",
"Sn",
"Pt"
] |
mp-1069533 | mp-1069533 | Hf2SN2 | # generated using pymatgen
data_Hf2SN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.34501901
_cell_length_b 6.34501901
_cell_length_c 6.34501901
_cell_angle_alpha 147.87617353
_cell_angle_beta 141.78793596
_cell_angle_gamma 50.75575584
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_Hf2SN2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.51102800
_cell_length_b 4.15367000
_cell_length_c 11.46545999
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.206925727547582,
0.6808060303911312,
1.3201748435949257
],
[
0.7756028826746616,
3.2244881569852146,
2.693858867836968
],
[
0,
0,
0
],
[
0.8333542840394177,
1.0911860594832,
2.8944436390007278
],
[
2.1491743261828264,
2.8141081278931463,
... | [
[
3.373968994912298,
0,
-0.9714169165591486
],
[
-0.3914403846900538,
3.9052941873763456,
-1.3595683820089572
],
[
0,
0,
6.34501901
]
] | [
72,
72,
16,
7,
7
] | [
1,
1,
1
] | -1.975276 | 2.0914 | 0.020992 | 71 | 71 | [
"Hf",
"N",
"S"
] |
mp-1029189 | mp-1029189 | Te6MoW3S2 | # generated using pymatgen
data_Te6MoW3S2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45510997
_cell_length_b 3.45510997
_cell_length_c 39.44108500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999945
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | # generated using pymatgen
data_Te6MoW3S2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.45510997
_cell_length_b 3.45510997
_cell_length_c 39.44108500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structur... | [
[
1.7275549993615915,
0.9974043328657405,
26.47861465041
],
[
1.7275549993615915,
0.9974043328657405,
11.64324493851
],
[
3.9023932238523733e-16,
1.9948086657314814,
22.778212614625005
],
[
3.9023932238523733e-16,
1.9948086657314814,
19.057577302235003
]... | [
[
3.4551099987231826,
0,
9.787530046709326e-16
],
[
-1.7275549993615908,
2.9922129985972217,
2.115644682731304e-16
],
[
0,
0,
39.441085
]
] | [
52,
52,
52,
52,
52,
52,
42,
74,
74,
74,
16,
16
] | [
1,
1,
1
] | -0.544881 | 0.291 | 0.076392 | 156 | 156 | [
"Mo",
"S",
"Te",
"W"
] |
mp-1226467 | mp-1226467 | CeZr2O6 | # generated using pymatgen
data_CeZr2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72916557
_cell_length_b 3.72916557
_cell_length_c 9.02041800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999246
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_CeZr2O6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.72916557
_cell_length_b 3.72916557
_cell_length_c 9.02041800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.8645829975010146,
1.0765173319502495,
3.0739149031140003
],
[
1.0022871606673094e-17,
2.1530346639004994,
5.946503096886
],
[
0,
0,
6.6348060923759995
],
[
1.8645829975010146,
1.0765173319502495,
0.8508058257600014
],
[... | [
[
3.7291659950020284,
0,
1.056386750023506e-15
],
[
-1.8645829975010142,
3.229551995850749,
2.283455339395507e-16
],
[
0,
0,
9.020418
]
] | [
58,
40,
40,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -3.783483 | 1.9108 | 0.068416 | 164 | 164 | [
"Ce",
"O",
"Zr"
] |
mp-1113361 | mp-1113361 | Cs2EuCuCl6 | # generated using pymatgen
data_Cs2EuCuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.50042200
_cell_length_b 7.50042201
_cell_length_c 7.50042197
_cell_angle_alpha 60.00000241
_cell_angle_beta 59.99999987
_cell_angle_gamma 60.00000003
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_Cs2EuCuCl6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.60719857
_cell_length_b 10.60719857
_cell_length_c 10.60719857
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_struct... | [
[
6.49555612055119,
4.593051749311328,
11.250633239819239
],
[
2.1651853735170636,
1.5310172497704433,
3.750211079939745
],
[
0,
0,
0
],
[
4.330370747034127,
3.062034499540886,
7.500422159879492
],
[
3.297798232911033,
4.522312628302934,
9.... | [
[
6.495555994452011,
0,
3.7502110142005334
],
[
2.1651854996162423,
6.1240689990817705,
3.750211297157386
],
[
0,
0,
7.500422008401065
]
] | [
55,
55,
63,
29,
17,
17,
17,
17,
17,
17
] | [
1,
1,
1
] | -2.068215 | 0 | 0 | 225 | 225 | [
"Cl",
"Cs",
"Cu",
"Eu"
] |
mp-864606 | mp-864606 | AcCuO3 | # generated using pymatgen
data_AcCuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94434300
_cell_length_b 3.94434300
_cell_length_c 3.94434300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_AcCuO3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.94434300
_cell_length_b 3.94434300
_cell_length_c 3.94434300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
1.9721714999999997,
1.9721715,
1.9721715000000002
],
[
1.9721714999999997,
1.9721715,
2.4152135148446344e-16
],
[
1.9721715,
0,
1.9721715000000002
],
[
-1.2076067574223172e-16,
1.9721715,
1.9721715000000002
]
] | [
[
3.944343,
0,
2.4152135148446344e-16
],
[
-2.4152135148446344e-16,
3.944343,
2.4152135148446344e-16
],
[
0,
0,
3.944343
]
] | [
89,
29,
8,
8,
8
] | [
1,
1,
1
] | -2.422892 | 0 | 0 | 221 | 221 | [
"Ac",
"Cu",
"O"
] |
mp-1223833 | mp-1223833 | K(WO3)3 | # generated using pymatgen
data_K(WO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52043633
_cell_length_b 7.52043633
_cell_length_c 3.88328500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000287
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_K(WO3)3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52043633
_cell_length_b 7.52043633
_cell_length_c 3.88328500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0.38775765710499943,
0,
2.3743308680925725e-17
],
[
1.944558847035001,
3.2564443604852533,
1.8801092456183925
],
[
1.9445588470349997,
1.2576383830251658e-16,
3.7602181649999995
],
[
1.944558847035001,
3.2564443604852533,
5.640327410618392
],
[
1... | [
[
3.883285,
0,
2.3778262727134646e-16
],
[
2.4935041896702057e-15,
6.512888720970507,
-3.7602178387632152
],
[
0,
0,
7.52043633
]
] | [
19,
74,
74,
74,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.226519 | 0 | 0.010778 | 183 | 183 | [
"K",
"O",
"W"
] |
mp-30606 | mp-30606 | DyInPd2 | # generated using pymatgen
data_DyInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.81192953
_cell_length_b 4.81192953
_cell_length_c 4.81192953
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_DyInPd2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.80509600
_cell_length_b 6.80509600
_cell_length_c 6.80509600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
2.7781688094670103,
1.9644620044550782,
4.81192953
],
[
0,
0,
0
],
[
1.3890844047335063,
0.9822310022275385,
2.4059647650000007
],
[
4.167253214200515,
2.9466930066826187,
7.217894295
]
] | [
[
4.167253214200514,
0,
2.4059647650000002
],
[
1.3890844047335058,
3.928924008910159,
2.4059647650000002
],
[
0,
0,
4.81192953
]
] | [
66,
49,
46,
46
] | [
1,
1,
1
] | -0.822659 | 0 | 0 | 225 | 225 | [
"Dy",
"In",
"Pd"
] |
mp-1519899 | mp-1519899 | SrEuFeSbO6 | # generated using pymatgen
data_SrEuFeSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.68014077
_cell_length_b 5.68014077
_cell_length_c 5.68014077
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | # generated using pymatgen
data_SrEuFeSbO6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.03293211
_cell_length_b 8.03293211
_cell_length_c 8.03293211
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structura... | [
[
1.639715401297236,
1.159453879473294,
2.840070385000001
],
[
4.919146203891702,
3.478361638419885,
8.520211155
],
[
0,
0,
0
],
[
3.2794308025944683,
2.3189077589465894,
5.6801407699999995
],
[
2.464045032171194,
3.472037374045221,
4.26785... | [
[
4.919146203891703,
0,
2.8400703849999998
],
[
1.6397154012972328,
4.637815517893181,
2.840070385
],
[
0,
0,
5.6801407699999995
]
] | [
38,
63,
26,
51,
8,
8,
8,
8,
8,
8
] | [
1,
1,
1
] | -2.491618 | 0 | 0.022633 | 216 | 216 | [
"Eu",
"Fe",
"O",
"Sb",
"Sr"
] |
mp-1186359 | mp-1186359 | NdDyIn2 | # generated using pymatgen
data_NdDyIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41284584
_cell_length_b 5.41284584
_cell_length_c 5.41284584
_cell_angle_alpha 60.00000000
_cell_angle_beta 60.00000000
_cell_angle_gamma 60.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | # generated using pymatgen
data_NdDyIn2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.65492000
_cell_length_b 7.65492000
_cell_length_c 7.65492000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ... | [
[
0,
0,
0
],
[
3.125108002805946,
2.2097850607244327,
5.41284584
],
[
4.687662004208919,
3.314677591086649,
8.11926876
],
[
1.5625540014029733,
1.1048925303622168,
2.7064229200000005
]
] | [
[
4.687662004208919,
0,
2.7064229200000005
],
[
1.562554001402973,
4.419570121448865,
2.7064229200000005
],
[
0,
0,
5.41284584
]
] | [
60,
66,
49,
49
] | [
1,
1,
1
] | -0.470785 | 0 | 0 | 225 | 225 | [
"Dy",
"In",
"Nd"
] |
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